3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C18H21N3O — CID 77097752

IUPAC3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cc3ccccc3n2C)on1
InChIInChI=1S/C18H21N3O/c1-13-10-18(22-19-13)17-8-5-9-21(17)12-15-11-14-6-3-4-7-16(14)20(15)2/h3-4,6-7,10-11,17H,5,8-9,12H2,1-2H3
InChIKeyXZYXZPNUZKIXKZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.81
Rot. Bonds3

About 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 77097752) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID77097752
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cc3ccccc3n2C)on1
InChIInChI=1S/C18H21N3O/c1-13-10-18(22-19-13)17-8-5-9-21(17)12-15-11-14-6-3-4-7-16(14)20(15)2/h3-4,6-7,10-11,17H,5,8-9,12H2,1-2H3
InChIKeyXZYXZPNUZKIXKZ-UHFFFAOYSA-N
XLogP3.81
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056207
3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
CID 92561583
5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
5-[(2S)-1-[(3-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584498
5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94032371
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 77097752) is 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C2CCCN2Cc2cc3ccccc3n2C)on1.
What is the InChIKey of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is XZYXZPNUZKIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-10-18(22-19-13)17-8-5-9-21(17)12-15-11-14-6-3-4-7-16(14)20(15)2/h3-4,6-7,10-11,17H,5,8-9,12H2,1-2H3.
What are the key properties of 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 295.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 77097752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).